Riboflavin,8-demethyl-8-ethyl- (9CI) | 5720-14-9
Riboflavin,8-demethyl-8-ethyl- (9CI)
5720-14-9
C18H22N4O6
390.39048
名称和标识符
InChIKey |
LACNUOWYRQHGNL-UHFFFAOYSA-N |
Inchi |
InChI=1S/C18H22N4O6/c1-3-9-5-11-10(4-8(9)2)19-14-16(20-18(28)21-17(14)27)22(11)6-12(24)15(26)13(25)7-23/h4-5,12-13,15,23-26H,3,6-7H2,1-2H3,(H,21,27,28) |
SMILES |
CCC1=CC2=C(C=C1C)N=C3C(=O)NC(=O)N=C3N2CC(C(C(CO)O)O)O |
别名信息
- 英文别名 -
- Riboflavin,8-demethyl-8-ethyl- (9CI)
- 7-methyl-8-ethylflavin
- 8-ethyl-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
- 1-deoxy-1-(8-ethyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)pentitol
- 6-Methyl-7-ethyl-9-(1'-D-ribityl)-i
- 7-Methyl-8-ethylflavine
- 8-Aethyl-7-methyl-10-D-ribit-1-yl-10H-benzo[g]pteridin-2,4-dion
- 8-ethyl-7-methyl-10-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione
- 8-ethyl-7-methyl-10-D-ribitol-1-yl-10H-benzo[g]pteridine-2,4-dione
- AC1L3ZOI
- AC1Q6IBW
- AR-1C2719
- NSC68758
- NSC-68758
- NSC 68758
- DTXSID20972654
- 1-Deoxy-1-(8-ethyl-4-hydroxy-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl)pentitol
- Isoalloxazine, 8-ethyl-7-methyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-
- Riboflavin, 8-demethyl-8-ethyl-
- 7-Methyl-8-ethylflavin
- Isoalloxazine,3,4,5-tetrahydroxypentyl)-
- 7-Methyl-8-ethyl-10-(1'-D-ribityl)isoalloxazine
- 5720-14-9
物化性质
实验特性
计算特性
精确分子量 |
390.15406 |
氢键供体数量 |
5 |
氢键受体数量 |
7 |
可旋转化学键数量 |
6 |
同位素质量 |
390.15393443g/mol |
重原子数量 |
28 |
复杂度 |
696 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
3 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
-1 |
拓扑分子极性表面积 |
155Ų |
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